SCHEMBL4334542

SCHEMBL4334542

O=C(Nc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.53
GSK3A P49840 5/20 0.50
MAPK14 Q16539 1/20 0.48
ABL1 P00519 3/20 0.47
PIK3CD O00329 2/20 0.46
PIM1 P11309 2/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
PDPK1 O15530 1/20 0.46
AAK1 Q2M2I8 5/20 0.45
CDK2 P24941 2/20 0.45
ITK Q08881 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4335983 0.86 MEN1 (0.51) GSK3BGSK3AMAPK14ABL1CDK2
SCHEMBL4334963 0.86 MEN1 (0.51) GSK3BGSK3AMAPK14ABL1CDK2
SCHEMBL4333014 0.85 GSK3B (0.65) GSK3BGSK3APIK3CDPIM1PIK3CA
SCHEMBL2863485 0.85 CDK4 (0.46) GSK3BCDK2ITK
SCHEMBL4336796 0.82 GSK3B (0.49) GSK3BGSK3AMAPK14ABL1PIK3CD
SCHEMBL4329381 0.82 MAPK10 (0.59) GSK3BGSK3APIK3CDPIM1PIK3CA
SCHEMBL2871320 0.82 PDPK1 (0.66) GSK3BMAPK14PDPK1ITK
SCHEMBL13927689 0.81 CHEK1 (0.48) GSK3BGSK3AABL1PIK3CDPIM1
SCHEMBL4338506 0.79 GSK3B (0.50) GSK3BGSK3AMAPK14ABL1PDPK1
SCHEMBL4340833 0.79 SMN1; SMN2 (0.47) MAPK14ITK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GSK3B 991/4885GSK3A 1159/4885MAPK14 4/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GSK3B 991/4885GSK3A 1159/4885MAPK14 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.